SCHEMBL10001165

SCHEMBL10001165

CC(C)(C)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCN

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ SLC15A2 Q16348 1/20 0.50
▸ SLC6A5 Q9Y345 1/20 0.49
▸ CPB2 Q96IY4 1/20 0.47
▸ ITGB2 P05107 3/20 0.46
▸ ICAM1 P05362 3/20 0.46
▸ ITGAL P20701 3/20 0.46
▸ SLC7A5 Q01650 1/20 0.44
▸ EPHX2 P34913 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16364168 0.86 CYP3A4 (0.54) CYP3A4CYP2D6TSHRCYP2C19LMNA
Carnosine SCHEMBL22392772 0.85 SLC15A2 (0.63) CYP3A4CYP2D6TSHRCYP2C19LMNA
Carnosine SCHEMBL1160796 0.85 SLC15A2 (0.63) CYP3A4CYP2D6TSHRCYP2C19LMNA
Carnosine SCHEMBL1161102 0.85 SLC15A2 (0.63) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL18381307 0.84 CYP3A4 (0.52) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL10031610 0.84 SLC6A5 (0.53) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL21089953 0.84 CYP3A4 (0.52) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL16551861 0.84 CYP3A4 (0.52) CYP3A4CYP2D6TSHRCYP2C19LMNA
Carnosine SCHEMBL27776508 0.84 SLC15A2 (0.61) CYP3A4CYP2D6TSHRCYP2C19LMNA
Carnosine SCHEMBL30129832 0.84 SLC15A2 (0.61) CYP3A4CYP2D6TSHRCYP2C19LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 — — US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 CYP3A4 179/4885CYP2D6 82/4885TSHR 4283/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback